Crystallography Open Database

Information card for entry 8102999

Preview

Coordinates	8102999.cif

Structure parameters

Formula	B Ba Fe H O9 P2
Calculated formula	B Ba Fe O9 P2
Title of publication	Crystal structure of barium iron(II) (monophosphate- hydrogenmonoborate-monophosphate), BaFe[BP2O8(OH)]
Authors of publication	Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	337
a	5.3393 ± 0.0004 Å
b	8.0179 ± 0.0009 Å
c	8.3443 ± 0.001 Å
α	89.047 ± 0.015°
β	79.211 ± 0.012°
γ	87.446 ± 0.014°
Cell volume	350.54 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102999.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102999.cif
13738	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102999 via cif-deposit CGI script.	8102999.cif